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ENAMINE-ZINC06754290

 MMsINC code: MMs01695393
Type: Neutral
Formula: C12H10ClNO2S2
SMILES:   Clc1sc(S(=O)(=O)N2CC2c2ccccc2)cc1
InChI:   InChI=1/C12H10ClNO2S2/c13-11-6-7-12(17-11)18(15,16)14-8-10(14)9-4-2-1-3-5-9/h1-7,10H,8H2/t10-,14?/m0/s1

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Potential Energy
Epot(MMFF94)=92.747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.802 g/mol  logS: -4.22574  SlogP: 3.2426  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.176919  Sterimol/B1: 3.25534  Sterimol/B2: 3.82595  Sterimol/B3: 4.41255
  Sterimol/B4: 7.03836  Sterimol/L: 11.4517 
 
 Surface and Volume Properties
  Accessible surface: 473.875  Positive charged surface: 204.936  Negative charged surface: 268.939  Volume: 246.5
  Hydrophobic surface: 405.974  Hydrophilic surface: 67.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.